SCHEMBL28317897

SCHEMBL28317897

O=CC1Cc2ccccc2N1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 5/20 0.38
▸ AADAT Q8N5Z0 2/20 0.38
▸ GOT1 P17174 1/20 0.38
▸ KYAT1 Q16773 1/20 0.38
▸ KYAT3 Q6YP21 1/20 0.38
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27929079 0.82 SRD5A1 (0.39) NOTUMCHRM2CHRM4CHRM1CHRM3
SCHEMBL28735654 0.77 NOTUM (0.36) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL28491796 0.75 CHRM2 (0.41) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL27383076 0.74 ACE (0.39) NOTUM
SCHEMBL7554141 0.74 NOTUM (0.49) NOTUMNPC1ALDH1A1
SCHEMBL4275949 0.74 NOTUM (0.49) NOTUMNPC1ALDH1A1
SCHEMBL27855041 0.73 AADAT (0.37) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL22292629 0.71 NOTUM (0.53) NOTUMCHRM2CHRM4CHRM1CHRM3
SCHEMBL28384637 0.70 NOTUM (0.39) NOTUMAADATDRD2DRD4ALDH1A1
SCHEMBL27776797 0.70 LMNA (0.52) DRD2ALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110194833-A For causing the catalyst system of lactide ring-opening polymerisation and the preparation method of polylactic acid 中国科学技术大学 2019-09-03 — — CN disclosed
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